[1-(2-cyanoethyl)piperidin-4-yl]methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate

Systemtic Name: [1-(2-cyanoethyl)piperidin-4-yl]methyl 5-azanyl-6-chloranyl-2,3-dihydro-1,4-benzodioxine-8-carboxylate Openeye Name: [1-(2-cyanoethyl)-4-piperidyl]methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate CAS Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid [1-(2-cyanoethyl)-4-piperidinyl]methyl ester IUPAC Name: [1-(2-cyanoethyl)piperidin-4-yl]methyl 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxine-8-carboxylate Traditional Name: 5-amino-6-chloro-2,3-dihydro-1,4-benzodioxin-8-carboxylic acid [1-(2-cyanoethyl)-4-piperidyl]methyl ester Formula: C18H22ClN3O4 MolecularWeight: 379.83798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl)CCC#N

Isomeric SMILES

C1CN(CCC1COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl)CCC#N

InChI

InChI=1S/C18H22ClN3O4/c19-14-10-13(16-17(15(14)21)25-9-8-24-16)18(23)26-11-12-2-6-22(7-3-12)5-1-4-20/h10,12H,1-3,5-9,11,21H2